Structure of PDB 7z51 Chain C Binding Site BS01 |
| >7z51 Chain C (length=494) Species: 11088 (Tick-borne encephalitis virus (WESTERN SUBTYPE))
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SRCTHLENRDFVTGTQGTTRVTLVLELGGCVTITAEGKPSMDVWLDAIYQ
ENPAKTREYCLHAKLSDTKVAARCPTMGPATLAEEHQGGTVCKRDQSDRG
WGNHCGLFGKGSIVACVKAACEAKKKATGHVYDANKIVYTVKVEPHTGDY
VAANETHSGRKTASFTVSSEKTILTMGEYGDVSLLCRVASGVDLAQTVIL
ELDKTVEHLPTAWQVHRDWFNDLALPWKHEGAQNWNNAERLVEFGAPHAV
KMDVYNLGDQTGVLLKALAGVPVAHIEGTKYHLKSGHVTCEVGLEKLKMK
GLTYTMCDKTKFTWKRAPTDSGHDTVVMEVTFSGTKPCRIPVRAVAHGSP
DVNVAMLITPNPTIENNGGGFIEMQLPPGDNIIYVGELSHQWFQKGSSIG
RVFQKTKKGIERLTVIGEHAWDFGSAGGFLSSIGKAVHTVLGGAFNSIFG
GVGFLPKLLLGVALAWLGLNMRNPTMSMSFLLAGGLVLAMTLGV |
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| Ligand ID | CPL |
| InChI | InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14-,21-20-/t40-/m1/s1 |
| InChIKey | JLPULHDHAOZNQI-ZTIMHPMXSA-N |
| SMILES | | Software | SMILES |
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| ACDLabs 10.04 | O=C(OCC(OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C)CCCCCCCCCCCCCCC | | OpenEye OEToolkits 1.5.0 | CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC | | CACTVS 3.341 | CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC | | CACTVS 3.341 | CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C/C=C\CCCCC | | OpenEye OEToolkits 1.5.0 | CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC |
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| Formula | C42 H80 N O8 P |
| Name | 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE;
PALMITOYL-LINOLEOYL PHOSPHATIDYLCHOLINE |
| ChEMBL | |
| DrugBank | DB02306 |
| ZINC |
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| PDB chain | 7z51 Chain C Residue 500
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